6-[2-[(5-cyclopropyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]propanoyl]-4H-1,4-benzoxazin-3-one

Systemtic Name: 6-[2-[(5-cyclopropyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]propanoyl]-4H-1,4-benzoxazin-3-one Openeye Name: 6-[2-[(4-allyl-5-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]propanoyl]-4H-1,4-benzoxazin-3-one CAS Name: 6-[2-[(5-cyclopropyl-4-prop-2-enyl-1,2,4-triazol-3-yl)thio]-1-oxopropyl]-4H-1,4-benzoxazin-3-one IUPAC Name: 6-[2-[(5-cyclopropyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]propanoyl]-4H-1,4-benzoxazin-3-one Traditional Name: 6-[2-[(4-allyl-5-cyclopropyl-1,2,4-triazol-3-yl)thio]propanoyl]-4H-1,4-benzoxazin-3-one Formula: C19H20N4O3S MolecularWeight: 384.4521

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C1=CC2=C(C=C1)OCC(=O)N2)SC3=NN=C(N3CC=C)C4CC4

Isomeric SMILES

CC(C(=O)C1=CC2=C(C=C1)OCC(=O)N2)SC3=NN=C(N3CC=C)C4CC4

InChI

InChI=1S/C19H20N4O3S/c1-3-8-23-18(12-4-5-12)21-22-19(23)27-11(2)17(25)13-6-7-15-14(9-13)20-16(24)10-26-15/h3,6-7,9,11-12H,1,4-5,8,10H2,2H3,(H,20,24)